[(4-cyanopyrimidin-2-yl)amino] 2,3,3-trimethylbutanoate

Systemtic Name: [(4-cyanopyrimidin-2-yl)amino] 2,3,3-trimethylbutanoate Openeye Name: [(4-cyanopyrimidin-2-yl)amino] 2,3,3-trimethylbutanoate CAS Name: 2,3,3-trimethylbutanoic acid [(4-cyano-2-pyrimidinyl)amino] ester IUPAC Name: [(4-cyanopyrimidin-2-yl)amino] 2,3,3-trimethylbutanoate Traditional Name: 2,3,3-trimethylbutyric acid [(4-cyanopyrimidin-2-yl)amino] ester Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)ONC1=NC=CC(=N1)C#N)C(C)(C)C

Isomeric SMILES

CC(C(=O)ONC1=NC=CC(=N1)C#N)C(C)(C)C

InChI

InChI=1S/C12H16N4O2/c1-8(12(2,3)4)10(17)18-16-11-14-6-5-9(7-13)15-11/h5-6,8H,1-4H3,(H,14,15,16)